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Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
[(11R,12S,14R,15R,37R,38R,40R,57R,58S,64S)-4,5,6,20,21,22,25,26,30,31,32,38,46,47,48,51,52-heptadecahydroxy-9,17,35,43,55,61-hexaoxo-12,64-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[35.15.6.514,27.111,15.03,8.018,23.029,34.040,57.044,49.050,54.024,60]tetrahexaconta-1(52),3,5,7,18,20,22,24,26,29,31,33,44,46,48,50,53,59-octadecaen-58-yl] 3,4,5-trihydroxybenzoate
1721.20
3.6
26
48
799.6
9
(-)-Bacopasaponin C
899.10
2
9
17
255.91
9
(4aS,6aS,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
472.70
6.5
3
4
77.76
1
9-beta-D-Ribofuranosylxanthine
284.23
-2.4
5
7
153.46
2
1-(2,4-dihydroxyphenyl)-3-[(2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]propan-1-one
408.50
5.9
3
5
86.99
7
2,5-Dimethylbenzoic acid
150.17
2.2
1
2
37.3
1
(5R,5aS,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
414.40
2
1
8
92.68
4
Conferol
382.50
4.7
1
4
59.67
3
Pyrazine, 2-methoxy-5-(2-methylpropyl)-
166.22
1.7
0
3
35.01
3
(4Z)-5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one
372.40
3.7
3
6
96.22
9
Ferulin
244.28
1.3
0
3
43.37
0
2,4-Dimethylbenzoic acid
150.17
2.8
1
2
37.3
1
2'-Hydroxy-4',5'-dimethylacetophenone
164.20
2.5
1
2
37.3
1
2-[(2R,4aS,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol
222.37
3.5
1
1
20.23
1
(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aS,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
456.70
8.2
2
3
57.53
2
(1R,4R,7S,9R,10S,13S)-5,5-bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-ol
320.50
2.9
3
3
60.69
2
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
957.10
2.7
11
19
312.05
10
Sanchinoside B2
638.90
4.3
7
9
160.07
7
Malonylginsenoside Rb1
1195.30
0
15
26
420.66
20
3,6,12-Trihydroxydammar-10(22),24-diene-O-rhamnosyl-(1-2)-glucopyranoside
767.00
4.5
8
12
198.76
8
Argentatin A
472.70
5.4
2
4
66.76
2
24-Methylene pollinastanol
412.70
9.5
1
1
20.23
5
3-Epicyclolaudenol
440.70
10.4
1
1
20.23
5
Tetraoctadec-11-enoyl cardiolipin
1458.00
26.7
3
17
256.57
82
(R)-1-PeCSO
177.22
-3.4
2
5
99.6
4
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